Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2851704

O=C(O)C(F)(F)F.O=C(O)CCc1cncc2ccccc12

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
FFAR1 O14842 1/20 0.41
AKR1B1 P15121 1/20 0.41
P2RX7 Q99572 1/20 0.41
CASP1 P29466 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.39
SLC22A12 Q96S37 3/20 0.39
FFAR4 Q5NUL3 1/20 0.39
KMT2A Q03164 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
KEAP1 Q14145 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2849208 0.93 CCNC (0.48) CCNCCDK8ADORA2AADORA1FFAR1
SCHEMBL30873960 0.93 CCNC (0.48) CCNCCDK8ADORA2AADORA1FFAR1
Trifluoroacetic Acid SCHEMBL27539757 0.82 TDP1 (0.57) FFAR1AKR1B1TDP1PARP1FFAR4
SCHEMBL2851707 0.81 ADORA2A (0.39) CCNCCDK8ADORA2AADORA1P2RX7
SCHEMBL7828974 0.81 MAPT (0.50) KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL7832915 0.81 MAPT (0.50) KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL7829764 0.81 MAPT (0.50) KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL5511663 0.79 P2RX7 (0.47) CCNCCDK8ADORA2AADORA1P2RX7
SCHEMBL3711732 0.77 TDP1 (0.62) ADORA2AADORA1AKR1B1TDP1CYP11B1
SCHEMBL30431204 0.77 TDP1 (0.62) ADORA2AADORA1AKR1B1TDP1CYP11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152670-B1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-12-25 EP disclosed
US-8202885-B2 Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-06-19 US disclosed
US-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2010-05-27 US disclosed
EP-2152670-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-02-17 EP disclosed
WO-2008132679-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS CACNA1E, CACNA1B, CACNA1A CCNC 1046/4885CDK8 3362/4885ADORA2A 393/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.